Chemical Properties of Glutaric acid, 1-(tert-butoxy)prop-2-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H34O5/c1-8-15(13(2)3)23-17(20)11-9-10-16(19)22-14(4)12-21-18(5,6)7/h13-15H,8-12H2,1-7H3

InChI Key

UKMCUZARQKHXPY-UHFFFAOYSA-N

Formula

C18H34O5

SMILES

CCC(OC(=O)CCCC(=O)OC(C)COC(C)(C)C)C(C)C

Molecular Weight¹

330.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-476.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.26	kJ/mol	Joback Calculated Property
ΔfusH°	31.15	kJ/mol	Joback Calculated Property
ΔvapH°	73.92	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.881		Crippen Calculated Property
McVol	285.230	ml/mol	McGowan Calculated Property
Pc	1250.38	kPa	Joback Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
Tboil	781.69	K	Joback Calculated Property
Tc	970.61	K	Joback Calculated Property
Tfus	416.59	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.31; 973.82]	J/mol×K	[781.69; 970.61]
Cp,gas	883.31	J/mol×K	781.69	Joback Calculated Property
Cp,gas	901.04	J/mol×K	813.18	Joback Calculated Property
Cp,gas	917.69	J/mol×K	844.66	Joback Calculated Property
Cp,gas	933.27	J/mol×K	876.15	Joback Calculated Property
Cp,gas	947.81	J/mol×K	907.64	Joback Calculated Property
Cp,gas	961.32	J/mol×K	939.13	Joback Calculated Property
Cp,gas	973.82	J/mol×K	970.61	Joback Calculated Property
η	[0.0000335; 0.0012371]	Pa×s	[416.59; 781.69]
η	0.0012371	Pa×s	416.59	Joback Calculated Property
η	0.0004622	Pa×s	477.44	Joback Calculated Property
η	0.0002158	Pa×s	538.29	Joback Calculated Property
η	0.0001176	Pa×s	599.14	Joback Calculated Property
η	0.0000717	Pa×s	659.99	Joback Calculated Property
η	0.0000475	Pa×s	720.84	Joback Calculated Property
η	0.0000335	Pa×s	781.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(tert-butoxy)prop-2-yl 2-methylhex-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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